Crystallography Open Database

Information card for entry 4308549

Preview

Coordinates	4308549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 I4 N9 O9 U
Calculated formula	C27 H63 I4 N9 O9 U
SMILES	[U]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[I-].[I-].[I-].[I-]
Title of publication	New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4
Authors of publication	Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1142 - 1146
a	13.5474 ± 0.0002 Å
b	13.5474 ± 0.0002 Å
c	53.2687 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	9776.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179123 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85.	4308549.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308549.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308549.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308549.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4308549.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308549.cif